#------------------------------------------------------------------------------
#$Date: 2020-10-06 10:54:03 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257453 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/97/7239727.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7239727
loop_
_publ_author_name
'Wang, Jun'
'Chen, Ning-Ning'
'Zhang, Chen'
'Jia, Li-Yong'
'Fan, Liming'
_publ_section_title
;
 Functional group induced structural diversities and photocatalytic,
 magnetic and luminescence sensing properties of four cobalt(ii)
 coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              811
_journal_page_last               820
_journal_paper_doi               10.1039/C9CE01474H
_journal_volume                  22
_journal_year                    2020
_chemical_formula_sum            'C52 H46 Co3 N12 O16 S2'
_chemical_formula_weight         1335.92
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2019-08-11 deposited with the CCDC.	2019-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.150(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.470(3)
_cell_length_b                   11.530(15)
_cell_length_c                   29.730(4)
_cell_measurement_reflns_used    9741
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.78
_cell_volume                     6377(8)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            78145
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.702
_exptl_absorpt_coefficient_mu    0.908
_exptl_absorpt_correction_T_max  0.8439
_exptl_absorpt_correction_T_min  0.8295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_description       block
_exptl_crystal_F_000             2732
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.190
_refine_diff_density_max         0.974
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5607
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.0953
_refine_ls_R_factor_gt           0.0803
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0621P)²+81.3707P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1981
_refine_ls_wR_factor_ref         0.2053
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4644
_reflns_number_total             5607
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01474h2.cif
_cod_data_source_block           1_sq_CCDC1
_cod_depositor_comments
;Adding full bibliography for 7239726--7239729.cif.

 Adding full bibliography for 7239726--7239729.cif.
;
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               7239727
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.832
_shelx_estimated_absorpt_t_max   0.846
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 0.5782(4) -0.1148(6) 0.2822(2) 0.0370(15) Uani 1 1 d . . .
C2 C 0.5968(3) -0.1602(5) 0.3314(2) 0.0314(13) Uani 1 1 d . . .
C3 C 0.6387(4) -0.2582(5) 0.3444(2) 0.0359(15) Uani 1 1 d . . .
H3 H 0.6553 -0.2973 0.3224 0.043 Uiso 1 1 calc R U .
C4 C 0.6557(4) -0.2980(6) 0.3896(2) 0.0399(16) Uani 1 1 d . . .
C5 C 0.6330(4) -0.2391(6) 0.4232(3) 0.0452(17) Uani 1 1 d . . .
H5 H 0.6464 -0.2648 0.4542 0.054 Uiso 1 1 calc R U .
C6 C 0.5900(4) -0.1410(6) 0.4103(2) 0.0365(15) Uani 1 1 d . . .
C7 C 0.5729(3) -0.1016(6) 0.3647(2) 0.0341(14) Uani 1 1 d . . .
H7 H 0.5451 -0.0352 0.3561 0.041 Uiso 1 1 calc R U .
C8 C 0.5591(5) -0.0813(7) 0.4449(3) 0.052(2) Uani 1 1 d . . .
C9 C 0.6924(4) 0.0352(7) 0.2107(3) 0.0497(19) Uani 1 1 d . . .
H9A H 0.6814 -0.0179 0.2324 0.075 Uiso 1 1 calc R U .
H9B H 0.7106 0.1062 0.2266 0.075 Uiso 1 1 calc R U .
H9C H 0.7279 0.0015 0.1981 0.075 Uiso 1 1 calc R U .
C10 C 0.6269(3) 0.0595(5) 0.1721(2) 0.0270(13) Uani 1 1 d . . .
C11 C 0.5206(4) 0.0463(6) 0.1230(3) 0.0462(18) Uani 1 1 d . . .
H11 H 0.4750 0.0176 0.1079 0.055 Uiso 1 1 calc R U .
C12 C 0.5467(3) 0.1446(6) 0.1119(3) 0.0480(19) Uani 1 1 d . . .
H12 H 0.5241 0.1962 0.0881 0.058 Uiso 1 1 calc R U .
C13 C 0.6647(3) 0.2468(5) 0.1449(2) 0.0302(14) Uani 1 1 d . . .
C14 C 0.7333(3) 0.2230(5) 0.1432(2) 0.0319(14) Uani 1 1 d . . .
H14 H 0.7487 0.1468 0.1426 0.038 Uiso 1 1 calc R U .
C15 C 0.7782(3) 0.3135(5) 0.1425(2) 0.0303(14) Uani 1 1 d . . .
C16 C 0.7570(3) 0.4282(5) 0.1430(2) 0.0314(14) Uani 1 1 d . . .
H16 H 0.7886 0.4887 0.1431 0.038 Uiso 1 1 calc R U .
C17 C 0.6875(3) 0.4493(5) 0.1433(2) 0.0292(13) Uani 1 1 d . . .
C18 C 0.6408(3) 0.3597(5) 0.1442(2) 0.0313(14) Uani 1 1 d . . .
H18 H 0.5940 0.3752 0.1445 0.038 Uiso 1 1 calc R U .
C19 C 0.9003(5) 0.2011(13) 0.2188(4) 0.107(5) Uani 1 1 d . . .
H19A H 0.9283 0.1319 0.2282 0.161 Uiso 1 1 calc R U .
H19B H 0.8514 0.1863 0.2180 0.161 Uiso 1 1 calc R U .
H19C H 0.9197 0.2621 0.2408 0.161 Uiso 1 1 calc R U .
C20 C 0.9026(3) 0.2364(6) 0.1713(2) 0.0393(16) Uani 1 1 d . . .
C21 C 0.9403(3) 0.2761(6) 0.1125(2) 0.0392(16) Uani 1 1 d . . .
H21 H 0.9696 0.2808 0.0929 0.047 Uiso 1 1 calc R U .
C22 C 0.8729(3) 0.3172(6) 0.1018(2) 0.0396(16) Uani 1 1 d . . .
H22 H 0.8476 0.3560 0.0746 0.048 Uiso 1 1 calc R U .
C23 C 0.6167(4) 0.5611(6) 0.2127(3) 0.0465(18) Uani 1 1 d . . .
H23A H 0.6167 0.6182 0.2363 0.070 Uiso 1 1 calc R U .
H23B H 0.6531 0.5042 0.2258 0.070 Uiso 1 1 calc R U .
H23C H 0.5706 0.5241 0.2026 0.070 Uiso 1 1 calc R U .
C24 C 0.6317(3) 0.6176(5) 0.1725(2) 0.0255(12) Uani 1 1 d . . .
C25 C 0.6696(4) 0.6486(6) 0.1108(3) 0.0435(18) Uani 1 1 d . . .
H25 H 0.6891 0.6382 0.0861 0.052 Uiso 1 1 calc R U .
C26 C 0.6418(4) 0.7462(5) 0.1221(3) 0.0412(17) Uani 1 1 d . . .
H26 H 0.6393 0.8166 0.1064 0.049 Uiso 1 1 calc R U .
Co1 Co 0.55815(4) -0.16264(6) 0.18617(3) 0.0252(2) Uani 1 1 d . . .
Co2 Co 0.5000 0.0000 0.5000 0.0632(5) Uani 1 2 d S . P
N1 N 0.5694(3) -0.0072(4) 0.15946(18) 0.0294(11) Uani 1 1 d . . .
N2 N 0.6163(3) 0.1543(4) 0.14399(19) 0.0309(12) Uani 1 1 d . . .
N3 N 0.9597(3) 0.2269(4) 0.15583(19) 0.0324(12) Uani 1 1 d . . .
N4 N 0.8490(2) 0.2899(4) 0.13952(19) 0.0305(12) Uani 1 1 d . . .
N5 N 0.6636(3) 0.5668(4) 0.14272(19) 0.0294(11) Uani 1 1 d . . .
N6 N 0.6175(2) 0.7272(4) 0.16043(18) 0.0266(11) Uani 1 1 d . . .
O1 O 0.5476(3) -0.0220(5) 0.27126(19) 0.0657(17) Uani 1 1 d . . .
O2 O 0.5946(3) -0.1831(4) 0.25324(16) 0.0471(12) Uani 1 1 d . . .
O3 O 0.5908(4) -0.0952(6) 0.4883(2) 0.080(2) Uani 1 1 d . . .
O4 O 0.5039(3) -0.0224(6) 0.4301(2) 0.0626(16) Uani 1 1 d . . .
O5 O 0.7727(4) -0.3883(8) 0.4420(3) 0.119(3) Uani 1 1 d . . .
O6 O 0.7251(7) -0.4609(7) 0.3658(3) 0.143(4) Uani 1 1 d . . .
O7 O 0.6655(4) -0.5029(5) 0.4241(3) 0.087(2) Uani 1 1 d . . .
O8 O 0.5577(7) 0.1505(7) 0.5074(4) 0.160(5) Uani 1 1 d . . .
H8A H 0.5422 0.1592 0.4756 0.241 Uiso 1 1 d R U .
H8B H 0.5900 0.1127 0.5131 0.241 Uiso 1 1 d R U .
S1 S 0.70719(15) -0.4259(2) 0.40563(8) 0.0669(7) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 C1 O2 124.2(6) . .
O1 C1 C2 121.7(6) . .
O2 C1 C2 114.1(6) . .
C3 C2 C7 119.5(6) . .
C3 C2 C1 120.9(6) . .
C7 C2 C1 119.5(6) . .
C4 C3 C2 120.2(6) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 120.6(6) . .
C3 C4 S1 120.0(5) . .
C5 C4 S1 119.4(5) . .
C4 C5 C6 119.6(7) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C7 C6 C5 119.5(6) . .
C7 C6 C8 119.6(6) . .
C5 C6 C8 120.8(7) . .
C6 C7 C2 120.5(6) . .
C6 C7 H7 119.7 . .
C2 C7 H7 119.7 . .
O4 C8 O3 122.9(7) . .
O4 C8 C6 119.3(7) . .
O3 C8 C6 117.8(8) . .
C10 C9 H9A 109.5 . .
C10 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C10 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N1 C10 N2 109.4(5) . .
N1 C10 C9 125.5(6) . .
N2 C10 C9 125.1(5) . .
C12 C11 N1 111.0(6) . .
C12 C11 H11 124.5 . .
N1 C11 H11 124.5 . .
C11 C12 N2 105.1(6) . .
C11 C12 H12 127.4 . .
N2 C12 H12 127.4 . .
C14 C13 C18 120.9(5) . .
C14 C13 N2 119.6(5) . .
C18 C13 N2 119.3(5) . .
C15 C14 C13 118.7(5) . .
C15 C14 H14 120.7 . .
C13 C14 H14 120.7 . .
C14 C15 C16 122.3(5) . .
C14 C15 N4 119.2(5) . .
C16 C15 N4 118.5(5) . .
C17 C16 C15 117.7(5) . .
C17 C16 H16 121.2 . .
C15 C16 H16 121.2 . .
C16 C17 C18 121.4(5) . .
C16 C17 N5 118.9(5) . .
C18 C17 N5 119.7(5) . .
C13 C18 C17 119.0(5) . .
C13 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
C20 C19 H19A 109.5 . .
C20 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C20 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N3 C20 N4 110.7(5) . .
N3 C20 C19 124.8(6) . .
N4 C20 C19 124.3(6) . .
C22 C21 N3 110.6(6) . .
C22 C21 H21 124.7 . .
N3 C21 H21 124.7 . .
C21 C22 N4 105.6(6) . .
C21 C22 H22 127.2 . .
N4 C22 H22 127.2 . .
C24 C23 H23A 109.5 . .
C24 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C24 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N6 C24 N5 109.7(5) . .
N6 C24 C23 124.8(5) . .
N5 C24 C23 125.5(5) . .
C26 C25 N5 106.5(6) . .
C26 C25 H25 126.7 . .
N5 C25 H25 126.7 . .
C25 C26 N6 109.7(5) . .
C25 C26 H26 125.1 . .
N6 C26 H26 125.1 . .
O2 Co1 N1 118.2(2) . .
O2 Co1 N3 115.6(2) . 6
N1 Co1 N3 110.8(2) . 6
O2 Co1 N6 103.8(2) . 1_545
N1 Co1 N6 105.8(2) . 1_545
N3 Co1 N6 100.1(2) 6 1_545
O8 Co2 O8 180.0 . 5_656
O8 Co2 O4 91.8(3) . .
O8 Co2 O4 88.2(3) 5_656 .
O8 Co2 O4 88.2(3) . 5_656
O8 Co2 O4 91.8(3) 5_656 5_656
O4 Co2 O4 180.0 . 5_656
O8 Co2 O3 89.9(4) . .
O8 Co2 O3 90.1(4) 5_656 .
O4 Co2 O3 61.3(2) . .
O4 Co2 O3 118.7(2) 5_656 .
O8 Co2 O3 90.1(4) . 5_656
O8 Co2 O3 89.9(4) 5_656 5_656
O4 Co2 O3 118.7(2) . 5_656
O4 Co2 O3 61.3(2) 5_656 5_656
O3 Co2 O3 180.0(3) . 5_656
O8 Co2 C8 87.4(3) . 5_656
O8 Co2 C8 92.6(3) 5_656 5_656
O4 Co2 C8 149.6(2) . 5_656
O4 Co2 C8 30.4(2) 5_656 5_656
O3 Co2 C8 149.0(3) . 5_656
O3 Co2 C8 31.0(3) 5_656 5_656
C10 N1 C11 107.4(5) . .
C10 N1 Co1 126.4(4) . .
C11 N1 Co1 126.2(4) . .
C10 N2 C12 107.1(5) . .
C10 N2 C13 128.0(5) . .
C12 N2 C13 124.8(5) . .
C20 N3 C21 105.5(5) . .
C20 N3 Co1 131.5(4) . 6_655
C21 N3 Co1 123.0(4) . 6_655
C20 N4 C22 107.6(5) . .
C20 N4 C15 127.6(5) . .
C22 N4 C15 124.8(5) . .
C24 N5 C25 107.7(5) . .
C24 N5 C17 127.7(5) . .
C25 N5 C17 124.6(5) . .
C24 N6 C26 106.4(5) . .
C24 N6 Co1 126.8(4) . 1_565
C26 N6 Co1 126.2(4) . 1_565
C1 O2 Co1 122.3(5) . .
C8 O3 Co2 85.7(5) . .
C8 O4 Co2 89.8(5) . .
Co2 O8 H8A 88.8 . .
Co2 O8 H8B 85.8 . .
H8A O8 H8B 107.5 . .
O6 S1 O7 117.7(6) . .
O6 S1 O5 109.3(7) . .
O7 S1 O5 111.7(5) . .
O6 S1 C4 106.1(4) . .
O7 S1 C4 106.5(4) . .
O5 S1 C4 104.5(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.221(9) .
C1 O2 1.274(8) .
C1 C2 1.496(9) .
C2 C3 1.380(9) .
C2 C7 1.387(8) .
C3 C4 1.364(9) .
C3 H3 0.9300 .
C4 C5 1.384(10) .
C4 S1 1.768(7) .
C5 C6 1.392(10) .
C5 H5 0.9300 .
C6 C7 1.373(9) .
C6 C8 1.504(9) .
C7 H7 0.9300 .
C8 O4 1.238(10) .
C8 O3 1.267(10) .
C9 C10 1.468(9) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 N1 1.317(7) .
C10 N2 1.355(8) .
C11 C12 1.323(10) .
C11 N1 1.361(8) .
C11 H11 0.9300 .
C12 N2 1.413(8) .
C12 H12 0.9300 .
C13 C14 1.379(8) .
C13 C18 1.380(8) .
C13 N2 1.419(7) .
C14 C15 1.367(8) .
C14 H14 0.9300 .
C15 C16 1.386(8) .
C15 N4 1.433(7) .
C16 C17 1.379(8) .
C16 H16 0.9300 .
C17 C18 1.381(8) .
C17 N5 1.430(7) .
C18 H18 0.9300 .
C19 C20 1.482(11) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 N3 1.327(8) .
C20 N4 1.334(8) .
C21 C22 1.342(9) .
C21 N3 1.356(8) .
C21 H21 0.9300 .
C22 N4 1.370(8) .
C22 H22 0.9300 .
C23 C24 1.466(9) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 N6 1.320(7) .
C24 N5 1.355(7) .
C25 C26 1.334(9) .
C25 N5 1.367(8) .
C25 H25 0.9300 .
C26 N6 1.376(8) .
C26 H26 0.9300 .
Co1 O2 1.924(5) .
Co1 N1 1.999(5) .
Co1 N3 2.004(5) 6
Co1 N6 2.014(5) 1_545
Co2 O8 2.043(8) .
Co2 O8 2.043(8) 5_656
Co2 O4 2.117(5) .
Co2 O4 2.117(5) 5_656
Co2 O3 2.194(7) .
Co2 O3 2.194(7) 5_656
Co2 C8 2.449(7) 5_656
N3 Co1 2.004(5) 6_655
N6 Co1 2.014(5) 1_565
O5 S1 1.474(9) .
O6 S1 1.390(8) .
O7 S1 1.418(7) .
O8 H8A 0.9110 .
O8 H8B 0.7419 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
O1 C1 C2 C3 -172.3(7) .
O2 C1 C2 C3 10.1(9) .
O1 C1 C2 C7 6.4(10) .
O2 C1 C2 C7 -171.2(6) .
C7 C2 C3 C4 0.7(10) .
C1 C2 C3 C4 179.4(6) .
C2 C3 C4 C5 -1.7(10) .
C2 C3 C4 S1 178.2(5) .
C3 C4 C5 C6 2.6(11) .
S1 C4 C5 C6 -177.3(5) .
C4 C5 C6 C7 -2.4(10) .
C4 C5 C6 C8 174.6(7) .
C5 C6 C7 C2 1.4(10) .
C8 C6 C7 C2 -175.6(6) .
C3 C2 C7 C6 -0.6(9) .
C1 C2 C7 C6 -179.3(6) .
C7 C6 C8 O4 21.3(10) .
C5 C6 C8 O4 -155.6(7) .
C7 C6 C8 O3 -159.5(7) .
C5 C6 C8 O3 23.5(11) .
N1 C11 C12 N2 -0.8(9) .
C18 C13 C14 C15 2.0(10) .
N2 C13 C14 C15 177.8(6) .
C13 C14 C15 C16 -0.5(10) .
C13 C14 C15 N4 -178.3(6) .
C14 C15 C16 C17 -1.2(10) .
N4 C15 C16 C17 176.6(6) .
C15 C16 C17 C18 1.5(10) .
C15 C16 C17 N5 -178.6(6) .
C14 C13 C18 C17 -1.8(10) .
N2 C13 C18 C17 -177.6(6) .
C16 C17 C18 C13 -0.1(10) .
N5 C17 C18 C13 -179.9(6) .
N3 C21 C22 N4 -1.4(8) .
N5 C25 C26 N6 -0.7(9) .
N2 C10 N1 C11 -0.8(7) .
C9 C10 N1 C11 179.2(7) .
N2 C10 N1 Co1 175.8(4) .
C9 C10 N1 Co1 -4.2(9) .
C12 C11 N1 C10 1.0(9) .
C12 C11 N1 Co1 -175.5(5) .
N1 C10 N2 C12 0.3(7) .
C9 C10 N2 C12 -179.7(7) .
N1 C10 N2 C13 -178.8(6) .
C9 C10 N2 C13 1.2(10) .
C11 C12 N2 C10 0.3(8) .
C11 C12 N2 C13 179.4(6) .
C14 C13 N2 C10 52.5(9) .
C18 C13 N2 C10 -131.7(7) .
C14 C13 N2 C12 -126.5(7) .
C18 C13 N2 C12 49.4(9) .
N4 C20 N3 C21 -0.4(8) .
C19 C20 N3 C21 -175.8(9) .
N4 C20 N3 Co1 177.3(4) 6_655
C19 C20 N3 Co1 1.8(13) 6_655
C22 C21 N3 C20 1.1(8) .
C22 C21 N3 Co1 -176.7(5) 6_655
N3 C20 N4 C22 -0.5(8) .
C19 C20 N4 C22 175.0(9) .
N3 C20 N4 C15 178.1(6) .
C19 C20 N4 C15 -6.4(13) .
C21 C22 N4 C20 1.2(8) .
C21 C22 N4 C15 -177.5(6) .
C14 C15 N4 C20 -65.1(9) .
C16 C15 N4 C20 117.0(8) .
C14 C15 N4 C22 113.3(7) .
C16 C15 N4 C22 -64.6(9) .
N6 C24 N5 C25 0.1(7) .
C23 C24 N5 C25 -178.4(7) .
N6 C24 N5 C17 -179.8(5) .
C23 C24 N5 C17 1.7(10) .
C26 C25 N5 C24 0.4(8) .
C26 C25 N5 C17 -179.7(6) .
C16 C17 N5 C24 -128.0(7) .
C18 C17 N5 C24 51.9(9) .
C16 C17 N5 C25 52.2(9) .
C18 C17 N5 C25 -127.9(7) .
N5 C24 N6 C26 -0.5(7) .
C23 C24 N6 C26 178.0(7) .
N5 C24 N6 Co1 170.6(4) 1_565
C23 C24 N6 Co1 -10.9(9) 1_565
C25 C26 N6 C24 0.8(8) .
C25 C26 N6 Co1 -170.4(5) 1_565
O1 C1 O2 Co1 -11.5(10) .
C2 C1 O2 Co1 166.0(4) .
O4 C8 O3 Co2 5.5(8) .
C6 C8 O3 Co2 -173.6(6) .
O3 C8 O4 Co2 -5.6(8) .
C6 C8 O4 Co2 173.4(6) .
C3 C4 S1 O6 3.4(9) .
C5 C4 S1 O6 -176.7(8) .
C3 C4 S1 O7 -122.7(7) .
C5 C4 S1 O7 57.2(7) .
C3 C4 S1 O5 118.9(7) .
C5 C4 S1 O5 -61.2(7) .
